N-(3-ethyl-1-methylpyrazol-4-yl)-2-pyrrolidin-2-ylacetamide

C12H20N4O — CID 107463082

IUPACN-(3-ethyl-1-methylpyrazol-4-yl)-2-pyrrolidin-2-ylacetamide
SMILESCCc1nn(C)cc1NC(=O)CC1CCCN1
InChIInChI=1S/C12H20N4O/c1-3-10-11(8-16(2)15-10)14-12(17)7-9-5-4-6-13-9/h8-9,13H,3-7H2,1-2H3,(H,14,17)
InChIKeyMMZYFXKYSKFMQE-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.06
Rot. Bonds4

About N-(3-ethyl-1-methylpyrazol-4-yl)-2-pyrrolidin-2-ylacetamide

N-(3-ethyl-1-methylpyrazol-4-yl)-2-pyrrolidin-2-ylacetamide (PubChem CID 107463082) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-(3-ethyl-1-methylpyrazol-4-yl)-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-(3-ethyl-1-methylpyrazol-4-yl)-2-pyrrolidin-2-ylacetamide
PubChem CID107463082
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-(3-ethyl-1-methylpyrazol-4-yl)-2-pyrrolidin-2-ylacetamide
SMILESCCc1nn(C)cc1NC(=O)CC1CCCN1
InChIInChI=1S/C12H20N4O/c1-3-10-11(8-16(2)15-10)14-12(17)7-9-5-4-6-13-9/h8-9,13H,3-7H2,1-2H3,(H,14,17)
InChIKeyMMZYFXKYSKFMQE-UHFFFAOYSA-N
XLogP1.06
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,5-dimethylpyrazol-4-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119797911
N-(3-ethyl-1-methylpyrazol-4-yl)-1-piperidin-2-ylmethanesulfonamide
CID 107463809
2-pyrrolidin-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide;hydrochloride
CID 119688876
2-(1-aminocyclopentyl)-N-(3-ethyl-1-methylpyrazol-4-yl)acetamide
CID 107463005
3-ethyl-1-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide
CID 106609915
N-(3-ethyl-1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 103908575
3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-sulfanylidenepropanamide
CID 107463267
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 112668454
N-(2-methyl-3-pyridinyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119844533
N-(3-methyl-4-pyridinyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119876328
N-(2-bromophenyl)-2-pyrrolidin-2-ylacetamide
CID 61371785
N-(4-acetamidophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119669050

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-1-methylpyrazol-4-yl)-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-(3-ethyl-1-methylpyrazol-4-yl)-2-pyrrolidin-2-ylacetamide (CID 107463082) is N-(3-ethyl-1-methylpyrazol-4-yl)-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-(3-ethyl-1-methylpyrazol-4-yl)-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-(3-ethyl-1-methylpyrazol-4-yl)-2-pyrrolidin-2-ylacetamide is CCc1nn(C)cc1NC(=O)CC1CCCN1.
What is the InChIKey of N-(3-ethyl-1-methylpyrazol-4-yl)-2-pyrrolidin-2-ylacetamide?
The InChIKey is MMZYFXKYSKFMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-10-11(8-16(2)15-10)14-12(17)7-9-5-4-6-13-9/h8-9,13H,3-7H2,1-2H3,(H,14,17).
What are the key properties of N-(3-ethyl-1-methylpyrazol-4-yl)-2-pyrrolidin-2-ylacetamide?
N-(3-ethyl-1-methylpyrazol-4-yl)-2-pyrrolidin-2-ylacetamide has a molecular weight of 236.32 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-1-methylpyrazol-4-yl)-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 107463082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).